N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

C25H30FN3O2 — CID 24719644

IUPACN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C25H30FN3O2/c1-5-28(6-2)25-22(23(27-31-25)20-10-8-7-9-11-20)17-29(24(30)18(3)4)16-19-12-14-21(26)15-13-19/h7-15,18H,5-6,16-17H2,1-4H3
InChIKeyGEWUQPKGCVBKRX-UHFFFAOYSA-N
MW423.53 g/mol
LogP5.51
Rot. Bonds9

About N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (PubChem CID 24719644) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
PubChem CID24719644
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC NameN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C25H30FN3O2/c1-5-28(6-2)25-22(23(27-31-25)20-10-8-7-9-11-20)17-29(24(30)18(3)4)16-19-12-14-21(26)15-13-19/h7-15,18H,5-6,16-17H2,1-4H3
InChIKeyGEWUQPKGCVBKRX-UHFFFAOYSA-N
XLogP5.51
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.53
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (CID 24719644) is N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is CCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccc(F)cc1)C(=O)C(C)C.
What is the InChIKey of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is GEWUQPKGCVBKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-5-28(6-2)25-22(23(27-31-25)20-10-8-7-9-11-20)17-29(24(30)18(3)4)16-19-12-14-21(26)15-13-19/h7-15,18H,5-6,16-17H2,1-4H3.
What are the key properties of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 423.53 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 24719644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).